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BMCBI
2008
155views more  BMCBI 2008»
14 years 9 months ago
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
Background: Virtual or in silico ligand screening combined with other computational methods is one of the most promising methods to search for new lead compounds, thereby greatly ...
Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno ...
BMCBI
2007
143views more  BMCBI 2007»
14 years 9 months ago
An adaptive bin framework search method for a beta-sheet protein homopolymer model
Background: The problem of protein structure prediction consists of predicting the functional or native structure of a protein given its linear sequence of amino acids. This probl...
Alena Shmygelska, Holger H. Hoos
CPHYSICS
2008
88views more  CPHYSICS 2008»
14 years 9 months ago
Simulation approaches to soft matter: Generic statistical properties vs. chemical details
The relation between atomistic structure, architecture, molecular weight and material properties is a basic concern of modern soft material science. This by now goes far beyond st...
Matej Praprotnik, Christoph Junghans, Luigi Delle ...
CVPR
2003
IEEE
15 years 11 months ago
3D Surface Modeling from Range Curves
Traditional approaches for surface reconstruction from range data require that the input data be either range images or unorganized sets of points. Since a large number of range s...
Dragan Tubic, Patrick Hébert, Denis Laurend...
BMCBI
2010
117views more  BMCBI 2010»
14 years 9 months ago
Beyond rotamers: a generative, probabilistic model of side chains in proteins
Background: Accurately covering the conformational space of amino acid side chains is essential for important applications such as protein design, docking and high resolution stru...
Tim Harder, Wouter Boomsma, Martin Paluszewski, Je...